==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-MAR-04 1SVU . COMPND 2 MOLECULE: MODIFICATION METHYLASE HHAI; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS HAEMOLYTICUS; . AUTHOR A.DONG,L.ZHOU,X.ZHANG,S.STICKEL,R.J.ROBERTS,X.CHENG . 623 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 450 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 69 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 0 1 2 1 4 3 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 3 0 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 3 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 81 0, 0.0 2,-0.3 0, 0.0 265,-0.1 0.000 360.0 360.0 360.0 148.8 21.8 11.5 8.0 2 2 A I - 0 0 33 263,-0.1 2,-0.9 265,-0.0 28,-0.0 -0.728 360.0-134.7-101.2 147.5 20.5 13.0 4.8 3 3 A E - 0 0 133 -2,-0.3 2,-0.6 27,-0.0 27,-0.0 -0.863 25.5-159.8 -98.0 104.4 17.3 15.1 4.3 4 4 A I - 0 0 1 -2,-0.9 3,-0.1 1,-0.1 28,-0.0 -0.783 10.4-170.7 -92.3 119.8 15.8 13.7 1.1 5 5 A K S S+ 0 0 164 -2,-0.6 2,-1.0 1,-0.2 -1,-0.1 0.891 71.5 61.4 -76.8 -42.3 13.3 16.0 -0.6 6 6 A D S S- 0 0 94 1,-0.1 2,-3.3 2,-0.0 -1,-0.2 -0.757 75.1-149.9 -90.9 99.2 11.8 13.8 -3.3 7 7 A K > + 0 0 81 -2,-1.0 3,-2.8 1,-0.2 2,-2.2 -0.316 19.8 178.7 -67.9 69.8 10.1 11.0 -1.4 8 8 A Q T 3 S+ 0 0 43 -2,-3.3 -1,-0.2 1,-0.3 296,-0.2 0.098 80.2 45.2 -63.6 31.0 10.6 8.5 -4.3 9 9 A L T 3 + 0 0 5 -2,-2.2 -1,-0.3 22,-1.2 25,-0.3 0.320 67.6 127.8-151.2 -1.7 8.9 6.0 -2.0 10 10 A T S < S+ 0 0 96 -3,-2.8 -2,-0.1 21,-0.5 22,-0.1 0.774 78.9 43.4 -30.5 -52.8 5.9 7.8 -0.6 11 11 A G S S+ 0 0 61 -4,-0.2 23,-0.3 22,-0.1 -1,-0.2 0.988 94.2 80.6 -59.7 -81.1 3.5 5.0 -1.6 12 12 A L - 0 0 26 21,-0.1 22,-2.3 1,-0.1 2,-0.4 0.303 62.1-147.1 -31.3 148.2 5.2 1.7 -0.8 13 13 A R E -a 34 0A 96 20,-0.2 60,-3.5 22,-0.0 61,-1.0 -0.967 15.4-168.0-124.8 138.9 5.2 0.2 2.7 14 14 A F E -ab 35 74A 0 20,-2.8 22,-2.7 -2,-0.4 23,-1.0 -0.833 16.7-131.2-126.9 163.4 8.0 -2.0 4.1 15 15 A I E -ab 37 75A 0 59,-1.8 61,-2.2 -2,-0.3 2,-1.1 -0.890 18.2-132.9-113.3 146.0 8.7 -4.2 7.0 16 16 A D E > -ab 38 76A 0 21,-1.7 23,-1.7 -2,-0.4 3,-1.3 -0.740 27.5-169.0 -98.6 84.4 11.7 -3.9 9.2 17 17 A L E 3 S+ b 0 77A 0 59,-1.6 61,-0.5 -2,-1.1 23,-0.1 -0.577 77.6 9.4 -75.9 136.5 12.9 -7.5 9.4 18 18 A F T 3 S- 0 0 2 21,-0.3 -1,-0.3 -2,-0.3 22,-0.2 0.826 91.4-162.4 62.9 30.0 15.7 -7.9 12.0 19 19 A A X + 0 0 0 20,-1.4 3,-1.6 -3,-1.3 2,-1.0 0.555 20.0 168.8 -8.4 -67.9 14.8 -4.4 13.0 20 20 A G T 3 S- 0 0 4 1,-0.3 29,-0.4 19,-0.2 -1,-0.2 -0.671 77.6 -26.9 80.8-105.8 17.9 -3.5 15.0 21 21 A L T 3 S- 0 0 1 605,-1.1 -1,-0.3 -2,-1.0 -2,-0.1 0.171 95.9 -97.9-125.9 7.0 17.6 0.3 15.6 22 22 A G <> + 0 0 0 -3,-1.6 4,-3.3 -4,-0.1 5,-0.3 0.790 65.3 157.7 80.5 27.6 15.6 0.9 12.5 23 23 A G H > S+ 0 0 0 603,-2.3 4,-2.4 -4,-0.5 -3,-0.1 0.956 81.6 43.4 -46.1 -53.4 18.5 1.9 10.2 24 24 A F H > S+ 0 0 0 -5,-0.3 4,-2.1 602,-0.3 5,-0.4 0.880 111.0 53.3 -59.4 -44.7 16.2 1.0 7.3 25 25 A R H > S+ 0 0 21 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.942 108.9 50.1 -58.9 -48.1 13.1 2.6 8.7 26 26 A L H X S+ 0 0 16 -4,-3.3 4,-1.8 3,-0.2 -2,-0.2 0.986 116.3 44.4 -49.9 -61.8 15.0 5.8 9.2 27 27 A A H >X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.3 3,-1.6 0.943 116.7 37.8 -46.7 -81.4 16.1 5.5 5.6 28 28 A L H ><>S+ 0 0 2 -4,-2.1 5,-1.4 1,-0.3 3,-0.8 0.904 112.3 60.4 -41.9 -52.8 13.1 4.5 3.6 29 29 A E H ><5S+ 0 0 69 -4,-1.9 3,-2.4 -5,-0.4 -1,-0.3 0.869 101.0 53.5 -45.1 -42.1 10.9 6.7 5.7 30 30 A S H <<5S+ 0 0 19 -4,-1.8 -1,-0.3 -3,-1.6 -2,-0.2 0.939 106.4 53.2 -57.7 -41.3 13.0 9.7 4.5 31 31 A C T <<5S- 0 0 0 -4,-1.6 -22,-1.2 -3,-0.8 -21,-0.5 0.470 126.5-112.8 -70.3 -1.5 12.1 8.4 1.2 32 32 A G T < 5 + 0 0 23 -3,-2.4 -3,-0.3 -4,-0.4 -2,-0.1 0.395 69.0 143.1 86.1 -5.2 8.5 8.6 2.4 33 33 A A < - 0 0 4 -5,-1.4 2,-0.4 -6,-0.1 -1,-0.3 -0.272 47.9-123.1 -64.5 158.1 7.9 4.8 2.4 34 34 A E E -a 13 0A 118 -22,-2.3 -20,-2.8 -23,-0.3 2,-0.7 -0.893 11.6-132.1-111.1 137.4 5.7 3.5 5.3 35 35 A C E +a 14 0A 16 -2,-0.4 -20,-0.2 -22,-0.2 -22,-0.0 -0.767 27.5 169.5 -91.7 115.4 6.8 0.9 7.9 36 36 A V E + 0 0 38 -22,-2.7 2,-0.3 -2,-0.7 -21,-0.2 0.628 63.2 12.2 -96.5 -17.7 4.2 -1.8 8.4 37 37 A Y E +a 15 0A 28 -23,-1.0 -21,-1.7 32,-0.1 2,-0.2 -0.890 49.2 174.9-149.8 179.9 6.3 -4.3 10.4 38 38 A S E -a 16 0A 3 -2,-0.3 20,-1.4 -23,-0.2 2,-0.3 -0.786 7.1-169.7 174.1 142.4 9.4 -5.0 12.4 39 39 A N B +g 58 0B 4 -23,-1.7 -20,-1.4 18,-0.3 -21,-0.3 -0.989 16.7 150.4-146.8 144.2 10.8 -7.8 14.5 40 40 A E - 0 0 0 18,-2.1 20,-0.1 17,-0.8 6,-0.1 -0.725 26.4-158.7-174.4 122.1 13.8 -8.1 16.7 41 41 A W + 0 0 136 -2,-0.2 2,-0.3 18,-0.2 18,-0.1 0.740 59.1 109.8 -83.7 -23.1 14.3 -10.3 19.8 42 42 A D >> - 0 0 31 1,-0.1 4,-4.0 2,-0.1 3,-0.6 -0.379 62.7-146.5 -59.0 116.1 17.0 -8.3 21.5 43 43 A K H 3> S+ 0 0 121 -2,-0.3 4,-1.7 1,-0.3 -1,-0.1 0.913 99.4 41.9 -45.8 -60.1 15.4 -6.8 24.6 44 44 A Y H 3> S+ 0 0 89 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.677 115.6 53.2 -65.7 -18.1 17.5 -3.6 24.6 45 45 A A H <> S+ 0 0 3 -3,-0.6 4,-2.2 2,-0.2 5,-0.3 0.948 108.8 46.9 -77.6 -54.3 17.0 -3.5 20.8 46 46 A Q H X S+ 0 0 25 -4,-4.0 4,-1.5 1,-0.2 -2,-0.2 0.774 111.7 57.7 -54.8 -27.1 13.3 -3.8 21.3 47 47 A E H X S+ 0 0 60 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.972 109.0 37.8 -70.2 -58.2 13.8 -1.0 23.8 48 48 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.4 0.964 114.5 54.9 -58.7 -56.6 15.5 1.7 21.7 49 49 A Y H >X S+ 0 0 0 -4,-2.2 4,-2.5 -29,-0.4 3,-0.7 0.928 112.6 43.0 -39.2 -62.7 13.4 0.9 18.6 50 50 A E H 3X S+ 0 0 97 -4,-1.5 4,-2.0 1,-0.3 -1,-0.3 0.863 108.1 61.7 -54.0 -39.9 10.2 1.4 20.7 51 51 A M H 3< S+ 0 0 91 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.919 121.2 22.6 -53.6 -47.1 11.9 4.5 22.3 52 52 A N H << S+ 0 0 41 -4,-2.4 -2,-0.2 -3,-0.7 -1,-0.2 0.510 135.5 36.0 -99.5 -6.6 12.1 6.1 18.9 53 53 A F H < S- 0 0 27 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.2 0.247 93.6-125.3-131.6 14.9 9.3 4.2 17.0 54 54 A G S < S+ 0 0 65 -4,-2.0 2,-0.3 -5,-0.2 -4,-0.2 0.724 76.9 87.4 47.9 32.4 6.5 3.6 19.6 55 55 A E S S- 0 0 72 -9,-0.1 -2,-0.2 -8,-0.1 -3,-0.1 -0.992 76.1-120.5-156.3 151.7 6.3 -0.2 19.1 56 56 A K - 0 0 133 -2,-0.3 3,-0.1 -7,-0.1 -18,-0.1 -0.824 41.4-119.4 -94.1 102.4 8.0 -3.3 20.3 57 57 A P - 0 0 0 0, 0.0 -17,-0.8 0, 0.0 -18,-0.3 -0.187 44.4 -98.0 -43.7 113.5 9.5 -5.0 17.3 58 58 A E B -g 39 0B 76 -20,-1.4 -18,-2.1 -19,-0.2 3,-0.2 0.073 50.1 -96.5 -35.3 141.1 7.7 -8.3 17.2 59 59 A G S S- 0 0 26 -20,-0.2 -18,-0.2 1,-0.2 5,-0.1 0.189 72.6 -19.2 -59.4 177.9 9.6 -11.2 18.7 60 60 A D >> - 0 0 45 1,-0.1 3,-1.6 -20,-0.1 4,-0.7 0.230 53.3-147.9 -22.7 108.8 11.9 -13.9 17.3 61 61 A I G >4 S+ 0 0 4 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.826 86.9 78.5 -52.7 -38.1 11.1 -14.3 13.5 62 62 A T G 34 S+ 0 0 62 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.689 105.1 31.5 -46.1 -29.2 11.9 -18.0 13.6 63 63 A Q G <4 S+ 0 0 155 -3,-1.6 -1,-0.3 -4,-0.1 2,-0.2 0.514 97.9 106.1-108.9 -9.8 8.5 -18.8 15.1 64 64 A V S << S- 0 0 14 -3,-1.2 2,-0.4 -4,-0.7 5,-0.0 -0.495 74.0-118.2 -74.0 138.8 6.7 -15.9 13.4 65 65 A N >> - 0 0 82 -2,-0.2 3,-1.6 1,-0.1 4,-0.6 -0.621 7.2-149.8 -80.1 128.8 4.3 -16.9 10.6 66 66 A E T 34 S+ 0 0 29 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.728 100.6 67.5 -68.4 -20.7 5.2 -15.4 7.1 67 67 A K T 34 S+ 0 0 58 1,-0.2 -1,-0.3 24,-0.0 -2,-0.1 0.356 99.2 54.6 -79.5 9.2 1.5 -15.6 6.5 68 68 A T T <4 S+ 0 0 86 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.631 78.3 103.7-111.9 -26.0 1.3 -12.9 9.2 69 69 A I S < S- 0 0 1 -4,-0.6 3,-0.1 -3,-0.4 -32,-0.1 -0.346 78.0-113.3 -59.3 138.5 3.7 -10.3 7.8 70 70 A P - 0 0 33 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.019 39.0 -83.5 -64.7 178.8 1.8 -7.4 6.3 71 71 A D + 0 0 99 -57,-0.1 2,-0.3 -35,-0.0 22,-0.1 -0.707 61.8 167.2 -85.6 136.7 1.8 -6.6 2.7 72 72 A H - 0 0 8 20,-0.4 23,-0.3 -2,-0.4 -58,-0.2 -0.941 45.6-144.0-146.9 169.2 4.8 -4.6 1.7 73 73 A D S S+ 0 0 22 -60,-3.5 23,-3.0 -2,-0.3 2,-0.3 0.444 92.4 35.6-112.3 -7.7 6.7 -3.4 -1.3 74 74 A I E -bc 14 96A 2 -61,-1.0 -59,-1.8 21,-0.2 2,-0.6 -0.967 59.4-162.9-152.0 131.7 10.1 -3.7 0.5 75 75 A L E -b 15 0A 0 21,-1.1 2,-0.6 -2,-0.3 23,-0.5 -0.964 15.5-163.4-115.1 114.0 11.5 -6.2 3.0 76 76 A C E +b 16 0A 0 -61,-2.2 -59,-1.6 -2,-0.6 2,-0.3 -0.894 19.8 156.5-107.0 121.9 14.6 -4.8 4.7 77 77 A A E -bd 17 99A 0 21,-1.6 23,-1.0 -2,-0.6 2,-0.8 -0.908 20.1-177.1-146.2 112.5 16.8 -7.2 6.6 78 78 A G 0 0 2 -61,-0.5 23,-0.1 -2,-0.3 21,-0.1 -0.763 360.0 360.0-108.5 81.7 20.5 -6.7 7.4 79 79 A F 0 0 52 -2,-0.8 22,-0.1 547,-0.1 -1,-0.1 0.067 360.0 360.0 -78.4 360.0 21.2 -10.1 9.1 80 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 81 100 A L >> 0 0 102 0, 0.0 3,-3.8 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 -51.2 17.9 -17.9 9.4 82 101 A F H >> + 0 0 20 1,-0.3 4,-1.4 2,-0.2 3,-1.2 0.875 360.0 76.4 -52.5 -32.2 18.0 -15.9 6.1 83 102 A F H 3> S+ 0 0 134 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.631 84.5 62.7 -55.6 -9.6 15.8 -18.7 5.1 84 103 A D H <> S+ 0 0 15 -3,-3.8 4,-3.6 2,-0.2 -1,-0.3 0.904 99.9 52.2 -79.8 -43.0 13.2 -16.8 7.2 85 104 A I H X S+ 0 0 0 -4,-3.6 4,-3.9 -3,-0.3 3,-0.7 0.944 117.3 58.0 -70.7 -50.7 8.6 -14.7 4.0 89 108 A V H 3< S+ 0 0 0 -4,-5.4 -2,-0.2 1,-0.3 -3,-0.2 0.559 109.4 48.0 -57.8 -9.4 9.8 -13.3 0.7 90 109 A R H 3< S+ 0 0 153 -4,-2.5 -1,-0.3 -3,-0.5 -2,-0.2 0.721 118.1 39.4 -99.7 -32.1 8.2 -16.3 -0.9 91 110 A E H << S+ 0 0 104 -4,-1.1 -2,-0.2 -3,-0.7 -3,-0.2 0.917 128.9 29.0 -82.5 -49.9 4.9 -15.9 0.9 92 111 A K S < S- 0 0 49 -4,-3.9 -20,-0.4 -5,-0.1 -3,-0.2 0.316 84.6-164.4 -96.2 8.0 4.6 -12.1 0.8 93 112 A K - 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